{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.863387 0 0.32482 ] [ 0.869985 0.5 0.737036 ] [ 0.247593 0.5 0.202212 ] [ 0.752407 0.5 0.797788 ] [ 0.130015 0.5 0.262964 ] [ 0.136613 0 0.67518 ] [ 0.363387 0.5 0.32482 ] [ 0.369985 0 0.737036 ] [ 0.747593 0 0.202212 ] [ 0.252407 0 0.797788 ] [ 0.630015 0 0.262964 ] [ 0.636613 0.5 0.67518 ] [ 0.927133 0 0.644729 ] [ 0.911515 0.5 0.142819 ] [ 0.201542 0.5 0.566225 ] [ 0.185585 0 0.062296 ] [ 0.814415 0 0.937704 ] [ 0.798458 0.5 0.433775 ] [ 0.072867 0 0.355271 ] [ 0.088485 0.5 0.857181 ] [ 0.427133 0.5 0.644729 ] [ 0.411515 0 0.142819 ] [ 0.701542 0 0.566225 ] [ 0.685585 0.5 0.062296 ] [ 0.314415 0.5 0.937704 ] [ 0.298458 0 0.433775 ] [ 0.572867 0.5 0.355271 ] [ 0.588485 0 0.857181 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 22.9838816 "source-unit" "angstrom" } "b" { "source-value" 3.2980597 "source-unit" "angstrom" } "c" { "source-value" 5.48643611 "source-unit" "angstrom" } "beta" { "source-value" 95.59944383 "source-unit" "degree" } }